6-(4-methylphenyl)-4-oxo-2-(4-phenoxyphenyl)-1H-pyridine-3-carbonitrile

C25H18N2O2 — CID 67574999

IUPAC6-(4-methylphenyl)-4-oxo-2-(4-phenoxyphenyl)-1H-pyridine-3-carbonitrile
SMILESCc1ccc(-c2cc(=O)c(C#N)c(-c3ccc(Oc4ccccc4)cc3)[nH]2)cc1
InChIInChI=1S/C25H18N2O2/c1-17-7-9-18(10-8-17)23-15-24(28)22(16-26)25(27-23)19-11-13-21(14-12-19)29-20-5-3-2-4-6-20/h2-15H,1H3,(H,27,28)
InChIKeyXCRALMLCRVJGHZ-UHFFFAOYSA-N
MW378.43 g/mol
LogP5.68
Rot. Bonds4

About 6-(4-methylphenyl)-4-oxo-2-(4-phenoxyphenyl)-1H-pyridine-3-carbonitrile

6-(4-methylphenyl)-4-oxo-2-(4-phenoxyphenyl)-1H-pyridine-3-carbonitrile (PubChem CID 67574999) has the molecular formula C25H18N2O2 and a molecular weight of 378.43 g/mol. Its IUPAC name is 6-(4-methylphenyl)-4-oxo-2-(4-phenoxyphenyl)-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(4-methylphenyl)-4-oxo-2-(4-phenoxyphenyl)-1H-pyridine-3-carbonitrile
PubChem CID67574999
Molecular FormulaC25H18N2O2
Molecular Weight378.43 g/mol
Exact Mass378.14
IUPAC Name6-(4-methylphenyl)-4-oxo-2-(4-phenoxyphenyl)-1H-pyridine-3-carbonitrile
SMILESCc1ccc(-c2cc(=O)c(C#N)c(-c3ccc(Oc4ccccc4)cc3)[nH]2)cc1
InChIInChI=1S/C25H18N2O2/c1-17-7-9-18(10-8-17)23-15-24(28)22(16-26)25(27-23)19-11-13-21(14-12-19)29-20-5-3-2-4-6-20/h2-15H,1H3,(H,27,28)
InChIKeyXCRALMLCRVJGHZ-UHFFFAOYSA-N
XLogP5.68
TPSA65.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.43
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenyl)-4-oxo-2-(4-phenoxyphenyl)-1H-pyridine-3-carbonitrile?
The IUPAC name of 6-(4-methylphenyl)-4-oxo-2-(4-phenoxyphenyl)-1H-pyridine-3-carbonitrile (CID 67574999) is 6-(4-methylphenyl)-4-oxo-2-(4-phenoxyphenyl)-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-(4-methylphenyl)-4-oxo-2-(4-phenoxyphenyl)-1H-pyridine-3-carbonitrile?
The canonical SMILES for 6-(4-methylphenyl)-4-oxo-2-(4-phenoxyphenyl)-1H-pyridine-3-carbonitrile is Cc1ccc(-c2cc(=O)c(C#N)c(-c3ccc(Oc4ccccc4)cc3)[nH]2)cc1.
What is the InChIKey of 6-(4-methylphenyl)-4-oxo-2-(4-phenoxyphenyl)-1H-pyridine-3-carbonitrile?
The InChIKey is XCRALMLCRVJGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N2O2/c1-17-7-9-18(10-8-17)23-15-24(28)22(16-26)25(27-23)19-11-13-21(14-12-19)29-20-5-3-2-4-6-20/h2-15H,1H3,(H,27,28).
What are the key properties of 6-(4-methylphenyl)-4-oxo-2-(4-phenoxyphenyl)-1H-pyridine-3-carbonitrile?
6-(4-methylphenyl)-4-oxo-2-(4-phenoxyphenyl)-1H-pyridine-3-carbonitrile has a molecular weight of 378.43 g/mol, XLogP of 5.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylphenyl)-4-oxo-2-(4-phenoxyphenyl)-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 67574999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).